ChemicalBook--->CAS DataBase List--->2052-14-4

2052-14-4

2052-14-4 Structure

2052-14-4 Structure
IdentificationMore
[Name]

Butyl salicylate
[CAS]

2052-14-4
[Synonyms]

2-HYDROXYBENZOIC ACID N-BUTYL ESTER
BUTYL 2-HYDROXYBENZOATE
BUTYL SALICYLATE
N-BUTYL SALICYLATE
SALICYLIC ACID N-BUTYL ESTER
2-Hydroxy-benzoic acid, butyl ester
2-hydroxy-benzoicacibutylester
Benzoicacid,2-hydroxy-,butylester
Brunol
Butyl o-hydroxybenzoate
butylhydroxylbenzoate
butylo-hydroxybenzoate
n-Butyl o-hydroxybenzoate
n-butylo-hydroxybenzoate
Salicylic acid, butyl ester
salicylicacid,butylester
salicylicacidbutylester
2-Hydroxybenzoic acid butyl
2-Hydroxybenzoic acid=butyl
o-Hydroxybenzoic acid butyl ester
[EINECS(EC#)]

218-142-9
[Molecular Formula]

C11H14O3
[MDL Number]

MFCD00020038
[Molecular Weight]

194.23
[MOL File]

2052-14-4.mol
Chemical PropertiesBack Directory
[Melting point ]

-5.9°C
[Boiling point ]

268 °C (lit.)
[density ]

1.08 g/mL at 25 °C(lit.)
[FEMA ]

3650
[refractive index ]

1.5120
[Fp ]

134°C
[storage temp. ]

Storage temp. 2-8°C
[form ]

liquid
[pka]

8.15±0.30(Predicted)
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. harsh clover ethyl benzoate
[biological source]

synthetic
[Odor Type]

floral
[Water Solubility ]

2.8g/L(37 ºC)
[JECFA Number]

901
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3
[InChIKey]

YFDUWSBGVPBWKF-UHFFFAOYSA-N
[SMILES]

CCCCOC(=O)c1ccccc1O
[LogP]

3.83
[CAS DataBase Reference]

2052-14-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 2-hydroxy-, butyl ester(2052-14-4)
[EPA Substance Registry System]

2052-14-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

VO2000000
[TSCA ]

TSCA listed
[HS Code ]

29182300
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
[Toxicity]

rat,LD50,oral,1700mg/kg (1700mg/kg),Food and Cosmetics Toxicology. Vol. 16, Pg. 663, 1978.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Butyl salicylate(2052-14-4).msds
Hazard InformationBack Directory
[Chemical Properties]

Butyl salicylate has a rough, herbaceous, chemical odor with a trace of wintergreen.
[Occurrence]

Reported found in mountain papaya.
[Uses]

Butyl salicylate is used in perfume compositions as a modifier for higher esters of Salicylic acid. It produces a Fougere-like note with Coumarin and Lavandin - with or without Oakmoss - but not as attractive as the one obtainable with the Amylester. Blends well with the herbaceous oils, with Pine needle oils and related chemicals (Bornyl family), with Cedarwood producls and it gives good fixative effect along with the simple Nitromusks in low-cost perfumes.
[Definition]

ChEBI: Butyl salicylate is a member of phenols and a benzoate ester. It is functionally related to a salicylic acid.
[Preparation]

By direct esterification of n-butanol with salicylic acid under azeotropic conditions.
[Aroma threshold values]

Detection 5 to 7 ppb; Recognition 10 ppb
[Synthesis Reference(s)]

Tetrahedron Letters, 37, p. 6375, 1996 DOI: 10.1016/0040-4039(96)01351-2
Spectrum DetailBack Directory
[Spectrum Detail]

Butyl salicylate(2052-14-4)MS
Butyl salicylate(2052-14-4)1HNMR
Butyl salicylate(2052-14-4)13CNMR
Butyl salicylate(2052-14-4)IR1
Butyl salicylate(2052-14-4)Raman
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

2052-14-4(sigmaaldrich)
[TCI AMERICA]

Butyl Salicylate,>99.0%(GC)(2052-14-4)
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